CID 3046335
Brn 0723557
Structural Information
- Molecular Formula
- C21H29Cl2N5O2
- SMILES
- CCCN1C(=NC(=C1C(=O)N)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl)CC
- InChI
- InChI=1S/C21H29Cl2N5O2/c1-3-11-28-17(4-2)25-21(19(28)20(24)30)26-18(29)14-15-5-7-16(8-6-15)27(12-9-22)13-10-23/h5-8H,3-4,9-14H2,1-2H3,(H2,24,30)(H,26,29)
- InChIKey
- XOCJINZIPCLPDZ-UHFFFAOYSA-N
- Compound name
- 5-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-2-ethyl-3-propylimidazole-4-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 454.17711 | 211.7 |
[M+Na]+ | 476.15905 | 217.0 |
[M-H]- | 452.16255 | 215.8 |
[M+NH4]+ | 471.20365 | 220.8 |
[M+K]+ | 492.13299 | 210.8 |
[M+H-H2O]+ | 436.16709 | 202.3 |
[M+HCOO]- | 498.16803 | 224.0 |
[M+CH3COO]- | 512.18368 | 241.2 |
[M+Na-2H]- | 474.14450 | 207.2 |
[M]+ | 453.16928 | 218.2 |
[M]- | 453.17038 | 218.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.